Shearinine C
AlkaPlorer ID: AK108683
Synonym: None
IUPAC Name: (1R,12R,19R,22R,26S,28R,31S)-22-hydroxy-26-(2-hydroxypropan-2-yl)-1,9,9,11,11,31-hexamethyl-10,27-dioxa-3-azaheptacyclo[17.12.0.04,16.06,14.07,12.022,31.023,28]hentriaconta-4(16),5,7,14,23-pentaene-2,17,25-trione
Structure
SMILES: CC1(C)C=C2C3=C(C=C4C(=O)C[C@H]5CC[C@]6(O)C7=CC(=O)[C@H](C(C)(C)O)O[C@@H]7CC[C@@]6(C)[C@]5(C)C(O)=NC4=C3)C[C@H]2C(C)(C)O1
InChI: InChI=1S/C37H47NO7/c1-32(2)18-23-21-16-26-22(13-19(21)14-24(23)34(5,6)45-32)27(39)15-20-9-12-37(43)25-17-28(40)30(33(3,4)42)44-29(25)10-11-35(37,7)36(20,8)31(41)38-26/h13,16-18,20,24,29-30,42-43H,9-12,14-15H2,1-8H3,(H,38,41)/t20-,24-,29-,30-,35+,36+,37+/m1/s1
InChIKey: LDBPDEYXOGTRJD-HUCWXTJPSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Penicillium miczynskii | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 617.7830000000001
TPSA？: 125.65
MolLogP？: 5.985400000000007
Number of H-Donors: 3
Number of H-Acceptors: 7
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|